Zobrazeno 1 - 10
of 114
pro vyhledávání: '"Stefaan Cottenier"'
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-15 (2017)
Abstract Using first-principles total energy calculations we have evaluated the thermodynamics and the electronic properties of intrinsic vacancy defects in orthorhombic CaZrO3. Charge density calculations and the atoms-in-molecules concept are used
Externí odkaz:
https://doaj.org/article/3ee83701eed64c86b3dd648e8d114839
Autor:
Benji Leenders, Alexander Aerts, Thomas E. Cocolios, Stefaan Cottenier, Donald Houngbo, Lucia Popescu
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 541:249-252
Autor:
Un-Gi Jong, Yun-Sim Kim, Chol-Hyok Ri, Yun-Hyok Kye, Chol-Jin Pak, Stefaan Cottenier, Chol-Jun Yu
Publikováno v:
Chemical Communications. 58:4223-4226
Using self-consistent phonon calculations, we reveal that strong anharmonicity and twofold rattling modes of Cs2SnI6 induce an ultralow thermal conductivity of 0.11 W m−1 K−1 at 300 K, rarely expected of simple and single-crystalline solids.
Autor:
Frederik Tielens, Stefaan Cottenier, Mercedes Alonso, Bert M. Weckhuysen, Paul W. Ayers, Frank De Proft, Xavier Deraet, Jan Turek
Publikováno v:
Chemistry – A European Journal. 27:6050-6063
The drive to develop maximal atom-efficient catalysts coupled to the continuous striving for more sustainable reactions has led to an ever-increasing interest in single-atom catalysis. Based on a periodic conceptual density functional theory (cDFT) a
Autor:
Stefaan Cottenier, Michiel Larmuseau, Tom Dhaene, Lode Duprez, Koenraad Theuwissen, Michael Sluydts
Publikováno v:
Scripta Materialia. 193:33-37
The promising results of deep learning in image recognition suggest a huge potential for microscopic analyses in materials science. One major challenge for its adoption in the study of materials is the limited number of images that are available to t
Publikováno v:
New Journal of Chemistry. 45:21569-21576
In the search for better thermoelectric materials, metal phosphides have not been considered to be viable candidates so far, due to their large lattice thermal conductivity. Here we study the thermoelectric properties of metal phosphide CuP2 in the m
Autor:
Arles Victor Gil Rebaza, Azucena Mudarra Navarro, Marcela Taylor, Leonardo Errico, Stefaan Cottenier
Publikováno v:
SSRN Electronic Journal.
Publikováno v:
JOURNAL OF ALLOYS AND COMPOUNDS
Nitriding of steels has been widely used for almost a century. However, insight in two important precipitating phases for low concentration through-thickness nitriding is still lacking, hindering further development of the process. Due to their metas
Autor:
Michiel Larmuseau, Koenraad Theuwissen, Kurt Lejaeghere, Lode Duprez, Tom Dhaene, Stefaan Cottenier
Publikováno v:
Scripta Materialia. 211:114478
Autor:
Nuno M. Fortunato, João P. Araújo, Vitor S. Amaral, M. J. Van Bael, L. M. C. Pereira, Stefaan Cottenier, M Houssa, Carlos O. Amorim, M. B. Barbosa, J. G. Correia, A. S. Fenta, J. N. Gonçalves
Publikováno v:
JOURNAL OF PHYSICS-MATERIALS
The interest in understanding the interaction between graphene and atoms that are adsorbed on its surface (adatoms) spans a wide range of research fields and applications, for example, to controllably change the properties of graphene in electronic d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52af74c60a6b8435375a2e8ec2af7454
https://lirias.kuleuven.be/handle/123456789/674361
https://lirias.kuleuven.be/handle/123456789/674361